methyl 4-(2,4-dinitrophenyl)-9-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate

Systemtic Name: methyl 4-(2,4-dinitrophenyl)-9-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Openeye Name: methyl 4-(2,4-dinitrophenyl)-9-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate CAS Name: 4-(2,4-dinitrophenyl)-9-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,4-dinitrophenyl)-9-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylate Traditional Name: 4-(2,4-dinitrophenyl)-9-methyl-3,5-dihydro-1,3,4-benzotriazepine-2-carboxylic acid methyl ester Formula: C17H15N5O6 MolecularWeight: 385.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(NN(C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(NN(C2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15N5O6/c1-10-4-3-5-11-9-20(19-16(17(23)28-2)18-15(10)11)13-7-6-12(21(24)25)8-14(13)22(26)27/h3-8H,9H2,1-2H3,(H,18,19)